Nothing
## ----setup, include = FALSE---------------------------------------------------
knitr::opts_chunk$set(
collapse = TRUE,
comment = "#>"
)
## ----getFiles, eval = FALSE---------------------------------------------------
# adjAddress <- "http://web.kuicr.kyoto-u.ac.jp/supp/yoshi/drugtarget/nr_admat_dgc.txt"
#
# targetAddress <- "http://web.kuicr.kyoto-u.ac.jp/supp/yoshi/drugtarget/nr_simmat_dg.txt"
#
# drugTargetInteraction <- as.matrix(
# read.table(adjAddress, header = TRUE, row.names = 1, sep = "\t")
# )
# targetSim <- as.matrix(
# read.table(targetAddress, header =TRUE, row.names = 1, sep = "\t")
# )
## ----importKEGG, eval = FALSE-------------------------------------------------
# library(ChemmineR)
# importKEGG <- function(ids){
# sdfset <- SDFset() # creates an empty SDF set
#
# # We use the link format for obtaining the data
# urlp <- "http://www.genome.jp/dbget-bin/www_bget?-f+m+drug+"
#
# # Combine everything in an sdfset
# for(i in ids){
# url <- paste0(urlp, i)
# tmp <- as(read.SDFset(url), "SDFset")
# cid(tmp) <- i
# sdfset <- c(sdfset, tmp)
# }
# return(sdfset)
# }
# # Now read the SDF information for all compounds in the research
# keggsdf <- importKEGG(colnames(drugTargetInteraction))
## ----tanimoto, eval = FALSE---------------------------------------------------
# # Keep in mind this needs some time to run!
# drugSim <- sapply(cid(keggsdf),
# function(x){
# fmcsBatch(keggsdf[x], keggsdf,
# au = 0, bu = 0)[,"Tanimoto_Coefficient"]
# })
## -----------------------------------------------------------------------------
data(drugtarget)
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